USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 421 LYS NZ :NH3+ -164:sc= -0.491 (180deg=-2.12!) USER MOD Set 1.2: A 439 THR OG1 : rot 101:sc= -1.34 USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN :FLIP amide:sc= -1.71! C(o=-2.5!,f=-1.7!) USER MOD Single : A 429 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.9!) USER MOD Single : A 431 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN :FLIP amide:sc= -0.149 F(o=-0.82,f=-0.15) USER MOD Single : A 437 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= 0.277 X(o=0.28,f=-0.14) USER MOD Single : A 447 HIS :FLIP no HE2:sc= -12.9! C(o=-14!,f=-13!) USER MOD Single : A 449 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0303) USER MOD Single : A 450 ASN : amide:sc= -6.14 K(o=-6.1,f=-15!) USER MOD Single : A 456 SER OG : rot 99:sc= 0.828 USER MOD Single : A 461 LYS NZ :NH3+ -170:sc= -0.602 (180deg=-1.09) USER MOD Single : A 462 THR OG1 : rot 180:sc= -1.96 USER MOD Single : A 466 CYS SG : rot 84:sc= -0.988 USER MOD Single : A 469 TYR OH : rot 60:sc= -4.55! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 421 -0.219 -4.597 8.995 1.00 10.00 N ATOM 112 CA LYS A 421 -1.061 -4.683 7.806 1.00 10.00 C ATOM 113 C LYS A 421 -0.232 -4.896 6.558 1.00 10.00 C ATOM 114 O LYS A 421 0.391 -3.968 6.047 1.00 10.00 O ATOM 115 CB LYS A 421 -1.919 -3.443 7.634 1.00 10.00 C ATOM 116 CG LYS A 421 -3.182 -3.714 6.840 1.00 10.00 C ATOM 117 CD LYS A 421 -2.889 -4.350 5.489 1.00 10.00 C ATOM 118 CE LYS A 421 -4.167 -4.592 4.705 1.00 10.00 C ATOM 119 NZ LYS A 421 -3.944 -4.524 3.234 1.00 10.00 N ATOM 0 HA LYS A 421 -1.715 -5.543 7.950 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -2.188 -3.053 8.616 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.337 -2.670 7.132 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -3.836 -4.371 7.414 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -3.722 -2.779 6.690 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -2.225 -3.703 4.916 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -2.365 -5.295 5.635 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -4.571 -5.570 4.965 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -4.914 -3.852 4.993 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -4.858 -4.423 2.749 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -3.341 -3.706 3.012 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -3.476 -5.396 2.913 1.00 10.00 H new ATOM 133 N VAL A 422 -0.244 -6.126 6.074 1.00 10.00 N ATOM 134 CA VAL A 422 0.494 -6.493 4.882 1.00 10.00 C ATOM 135 C VAL A 422 0.365 -7.988 4.636 1.00 10.00 C ATOM 136 O VAL A 422 0.114 -8.439 3.522 1.00 10.00 O ATOM 137 CB VAL A 422 1.971 -6.083 5.016 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.752 -7.079 5.863 1.00 10.00 C ATOM 139 CG2 VAL A 422 2.605 -5.915 3.644 1.00 10.00 C ATOM 0 H VAL A 422 -0.765 -6.895 6.496 1.00 10.00 H new ATOM 0 HA VAL A 422 0.076 -5.963 4.027 1.00 10.00 H new ATOM 0 HB VAL A 422 2.007 -5.122 5.530 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.791 -6.758 5.936 1.00 10.00 H new ATOM 0 HG12 VAL A 422 2.316 -7.129 6.861 1.00 10.00 H new ATOM 0 HG13 VAL A 422 2.709 -8.064 5.399 1.00 10.00 H new ATOM 0 HG21 VAL A 422 3.649 -5.625 3.759 1.00 10.00 H new ATOM 0 HG22 VAL A 422 2.548 -6.857 3.099 1.00 10.00 H new ATOM 0 HG23 VAL A 422 2.073 -5.142 3.089 1.00 10.00 H new ATOM 149 N TYR A 423 0.513 -8.734 5.716 1.00 10.00 N ATOM 150 CA TYR A 423 0.386 -10.185 5.718 1.00 10.00 C ATOM 151 C TYR A 423 -0.851 -10.618 4.931 1.00 10.00 C ATOM 152 O TYR A 423 -0.872 -11.691 4.329 1.00 10.00 O ATOM 153 CB TYR A 423 0.267 -10.661 7.173 1.00 10.00 C ATOM 154 CG TYR A 423 -0.804 -9.915 7.943 1.00 10.00 C ATOM 155 CD1 TYR A 423 -0.684 -8.554 8.155 1.00 10.00 C ATOM 156 CD2 TYR A 423 -1.932 -10.556 8.438 1.00 10.00 C ATOM 157 CE1 TYR A 423 -1.635 -7.842 8.826 1.00 10.00 C ATOM 158 CE2 TYR A 423 -2.906 -9.846 9.122 1.00 10.00 C ATOM 159 CZ TYR A 423 -2.752 -8.486 9.312 1.00 10.00 C ATOM 160 OH TYR A 423 -3.715 -7.774 9.990 1.00 10.00 O ATOM 0 H TYR A 423 0.729 -8.344 6.634 1.00 10.00 H new ATOM 0 HA TYR A 423 1.263 -10.627 5.245 1.00 10.00 H new ATOM 0 HB2 TYR A 423 0.042 -11.728 7.186 1.00 10.00 H new ATOM 0 HB3 TYR A 423 1.226 -10.531 7.674 1.00 10.00 H new ATOM 0 HD1 TYR A 423 0.188 -8.040 7.779 1.00 10.00 H new ATOM 0 HD2 TYR A 423 -2.052 -11.619 8.288 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -1.513 -6.779 8.975 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -3.780 -10.353 9.504 1.00 10.00 H new ATOM 0 HH TYR A 423 -4.436 -8.378 10.264 1.00 10.00 H new ATOM 170 N LYS A 424 -1.885 -9.773 4.946 1.00 10.00 N ATOM 171 CA LYS A 424 -3.126 -10.072 4.237 1.00 10.00 C ATOM 172 C LYS A 424 -3.107 -9.515 2.815 1.00 10.00 C ATOM 173 O LYS A 424 -4.133 -9.488 2.136 1.00 10.00 O ATOM 174 CB LYS A 424 -4.316 -9.491 4.999 1.00 10.00 C ATOM 175 CG LYS A 424 -4.802 -10.375 6.136 1.00 10.00 C ATOM 176 CD LYS A 424 -6.240 -10.057 6.511 1.00 10.00 C ATOM 177 CE LYS A 424 -7.199 -10.403 5.384 1.00 10.00 C ATOM 178 NZ LYS A 424 -8.544 -10.786 5.896 1.00 10.00 N ATOM 0 H LYS A 424 -1.885 -8.881 5.440 1.00 10.00 H new ATOM 0 HA LYS A 424 -3.221 -11.156 4.176 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -4.038 -8.517 5.401 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -5.137 -9.326 4.302 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -4.724 -11.422 5.843 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -4.159 -10.238 7.005 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -6.515 -10.613 7.407 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -6.328 -8.998 6.753 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -7.296 -9.548 4.714 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -6.787 -11.223 4.796 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -9.168 -11.014 5.096 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -8.456 -11.617 6.515 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -8.949 -9.994 6.435 1.00 10.00 H new ATOM 192 N ASP A 425 -1.938 -9.065 2.372 1.00 10.00 N ATOM 193 CA ASP A 425 -1.789 -8.503 1.035 1.00 10.00 C ATOM 194 C ASP A 425 -0.366 -8.681 0.516 1.00 10.00 C ATOM 195 O ASP A 425 0.165 -7.813 -0.175 1.00 10.00 O ATOM 196 CB ASP A 425 -2.157 -7.021 1.043 1.00 10.00 C ATOM 197 CG ASP A 425 -1.476 -6.260 2.161 1.00 10.00 C ATOM 198 OD1 ASP A 425 -2.006 -6.269 3.293 1.00 10.00 O ATOM 199 OD2 ASP A 425 -0.414 -5.655 1.906 1.00 10.00 O ATOM 0 H ASP A 425 -1.078 -9.079 2.921 1.00 10.00 H new ATOM 0 HA ASP A 425 -2.464 -9.039 0.369 1.00 10.00 H new ATOM 0 HB2 ASP A 425 -1.883 -6.577 0.086 1.00 10.00 H new ATOM 0 HB3 ASP A 425 -3.237 -6.919 1.144 1.00 10.00 H new ATOM 204 N ARG A 426 0.243 -9.814 0.839 1.00 10.00 N ATOM 205 CA ARG A 426 1.600 -10.102 0.385 1.00 10.00 C ATOM 206 C ARG A 426 1.602 -10.441 -1.101 1.00 10.00 C ATOM 207 O ARG A 426 2.642 -10.395 -1.758 1.00 10.00 O ATOM 208 CB ARG A 426 2.204 -11.252 1.192 1.00 10.00 C ATOM 209 CG ARG A 426 3.688 -11.460 0.937 1.00 10.00 C ATOM 210 CD ARG A 426 3.928 -12.530 -0.117 1.00 10.00 C ATOM 211 NE ARG A 426 5.089 -13.358 0.200 1.00 10.00 N ATOM 212 CZ ARG A 426 5.320 -14.550 -0.345 1.00 10.00 C ATOM 213 NH1 ARG A 426 4.472 -15.058 -1.232 1.00 10.00 N ATOM 214 NH2 ARG A 426 6.401 -15.238 -0.002 1.00 10.00 N ATOM 0 H ARG A 426 -0.177 -10.547 1.411 1.00 10.00 H new ATOM 0 HA ARG A 426 2.211 -9.213 0.541 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.050 -11.060 2.254 1.00 10.00 H new ATOM 0 HB3 ARG A 426 1.670 -12.172 0.953 1.00 10.00 H new ATOM 0 HG2 ARG A 426 4.138 -10.521 0.613 1.00 10.00 H new ATOM 0 HG3 ARG A 426 4.181 -11.746 1.866 1.00 10.00 H new ATOM 0 HD2 ARG A 426 3.044 -13.162 -0.200 1.00 10.00 H new ATOM 0 HD3 ARG A 426 4.074 -12.057 -1.088 1.00 10.00 H new ATOM 0 HE ARG A 426 5.762 -13.002 0.879 1.00 10.00 H new ATOM 0 HH11 ARG A 426 3.639 -14.534 -1.499 1.00 10.00 H new ATOM 0 HH12 ARG A 426 4.654 -15.972 -1.646 1.00 10.00 H new ATOM 0 HH21 ARG A 426 7.055 -14.853 0.680 1.00 10.00 H new ATOM 0 HH22 ARG A 426 6.578 -16.152 -0.420 1.00 10.00 H new ATOM 228 N GLN A 427 0.424 -10.758 -1.629 1.00 10.00 N ATOM 229 CA GLN A 427 0.280 -11.078 -3.043 1.00 10.00 C ATOM 230 C GLN A 427 -0.330 -9.893 -3.776 1.00 10.00 C ATOM 231 O GLN A 427 -0.976 -10.041 -4.813 1.00 10.00 O ATOM 232 CB GLN A 427 -0.575 -12.339 -3.241 1.00 10.00 C ATOM 233 CG GLN A 427 -1.469 -12.682 -2.056 1.00 10.00 C ATOM 234 CD GLN A 427 -0.690 -13.211 -0.864 1.00 10.00 C ATOM 235 OE1 GLN A 427 -0.850 -12.561 0.286 1.00 10.00 O flip ATOM 236 NE2 GLN A 427 0.045 -14.192 -0.975 1.00 10.00 N flip ATOM 0 H GLN A 427 -0.445 -10.800 -1.097 1.00 10.00 H new ATOM 0 HA GLN A 427 1.267 -11.283 -3.457 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.198 -12.206 -4.125 1.00 10.00 H new ATOM 0 HB3 GLN A 427 0.085 -13.184 -3.440 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -2.024 -11.793 -1.756 1.00 10.00 H new ATOM 0 HG3 GLN A 427 -2.203 -13.427 -2.364 1.00 10.00 H new ATOM 0 HE21 GLN A 427 0.138 -14.660 -1.876 1.00 10.00 H new ATOM 0 HE22 GLN A 427 0.561 -14.537 -0.166 1.00 10.00 H new ATOM 245 N VAL A 428 -0.095 -8.714 -3.218 1.00 10.00 N ATOM 246 CA VAL A 428 -0.584 -7.468 -3.785 1.00 10.00 C ATOM 247 C VAL A 428 0.554 -6.725 -4.452 1.00 10.00 C ATOM 248 O VAL A 428 0.354 -6.030 -5.446 1.00 10.00 O ATOM 249 CB VAL A 428 -1.217 -6.577 -2.708 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.234 -5.118 -3.141 1.00 10.00 C ATOM 251 CG2 VAL A 428 -2.620 -7.064 -2.387 1.00 10.00 C ATOM 0 H VAL A 428 0.441 -8.596 -2.358 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.349 -7.711 -4.523 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.609 -6.644 -1.806 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.688 -4.511 -2.358 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.213 -4.779 -3.317 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -1.813 -5.018 -4.059 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -3.061 -6.425 -1.622 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -3.233 -7.027 -3.288 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -2.574 -8.090 -2.021 1.00 10.00 H new ATOM 261 N MET A 429 1.756 -6.889 -3.911 1.00 10.00 N ATOM 262 CA MET A 429 2.937 -6.243 -4.483 1.00 10.00 C ATOM 263 C MET A 429 2.911 -6.363 -6.010 1.00 10.00 C ATOM 264 O MET A 429 3.452 -5.518 -6.723 1.00 10.00 O ATOM 265 CB MET A 429 4.214 -6.877 -3.929 1.00 10.00 C ATOM 266 CG MET A 429 4.176 -8.396 -3.897 1.00 10.00 C ATOM 267 SD MET A 429 5.750 -9.120 -3.397 1.00 10.00 S ATOM 268 CE MET A 429 5.688 -10.691 -4.253 1.00 10.00 C ATOM 0 H MET A 429 1.940 -7.458 -3.085 1.00 10.00 H new ATOM 0 HA MET A 429 2.925 -5.188 -4.208 1.00 10.00 H new ATOM 0 HB2 MET A 429 5.061 -6.556 -4.535 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.385 -6.505 -2.919 1.00 10.00 H new ATOM 0 HG2 MET A 429 3.396 -8.722 -3.209 1.00 10.00 H new ATOM 0 HG3 MET A 429 3.906 -8.770 -4.885 1.00 10.00 H new ATOM 0 HE1 MET A 429 6.596 -11.256 -4.042 1.00 10.00 H new ATOM 0 HE2 MET A 429 4.821 -11.257 -3.913 1.00 10.00 H new ATOM 0 HE3 MET A 429 5.610 -10.518 -5.326 1.00 10.00 H new ATOM 278 N ASN A 430 2.258 -7.422 -6.496 1.00 10.00 N ATOM 279 CA ASN A 430 2.129 -7.669 -7.925 1.00 10.00 C ATOM 280 C ASN A 430 0.665 -7.898 -8.304 1.00 10.00 C ATOM 281 O ASN A 430 0.367 -8.599 -9.271 1.00 10.00 O ATOM 282 CB ASN A 430 2.965 -8.886 -8.318 1.00 10.00 C ATOM 283 CG ASN A 430 4.401 -8.524 -8.643 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.693 -7.398 -9.046 1.00 10.00 O ATOM 285 ND2 ASN A 430 5.306 -9.479 -8.469 1.00 10.00 N ATOM 0 H ASN A 430 1.808 -8.125 -5.910 1.00 10.00 H new ATOM 0 HA ASN A 430 2.492 -6.793 -8.463 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.952 -9.610 -7.503 1.00 10.00 H new ATOM 0 HB3 ASN A 430 2.511 -9.370 -9.183 1.00 10.00 H new ATOM 0 HD21 ASN A 430 6.288 -9.294 -8.671 1.00 10.00 H new ATOM 0 HD22 ASN A 430 5.019 -10.398 -8.133 1.00 10.00 H new ATOM 292 N MET A 431 -0.244 -7.299 -7.533 1.00 10.00 N ATOM 293 CA MET A 431 -1.682 -7.425 -7.775 1.00 10.00 C ATOM 294 C MET A 431 -2.487 -6.909 -6.586 1.00 10.00 C ATOM 295 O MET A 431 -3.013 -7.690 -5.793 1.00 10.00 O ATOM 296 CB MET A 431 -2.068 -8.879 -8.037 1.00 10.00 C ATOM 297 CG MET A 431 -2.277 -9.202 -9.508 1.00 10.00 C ATOM 298 SD MET A 431 -1.692 -10.850 -9.946 1.00 10.00 S ATOM 299 CE MET A 431 -3.240 -11.678 -10.297 1.00 10.00 C ATOM 0 H MET A 431 -0.007 -6.717 -6.729 1.00 10.00 H new ATOM 0 HA MET A 431 -1.912 -6.824 -8.655 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.289 -9.529 -7.639 1.00 10.00 H new ATOM 0 HB3 MET A 431 -2.983 -9.106 -7.491 1.00 10.00 H new ATOM 0 HG2 MET A 431 -3.338 -9.122 -9.747 1.00 10.00 H new ATOM 0 HG3 MET A 431 -1.756 -8.462 -10.116 1.00 10.00 H new ATOM 0 HE1 MET A 431 -3.043 -12.711 -10.584 1.00 10.00 H new ATOM 0 HE2 MET A 431 -3.871 -11.662 -9.408 1.00 10.00 H new ATOM 0 HE3 MET A 431 -3.750 -11.166 -11.113 1.00 10.00 H new ATOM 309 N TRP A 432 -2.608 -5.597 -6.485 1.00 10.00 N ATOM 310 CA TRP A 432 -3.378 -4.990 -5.407 1.00 10.00 C ATOM 311 C TRP A 432 -4.855 -5.070 -5.743 1.00 10.00 C ATOM 312 O TRP A 432 -5.356 -4.338 -6.598 1.00 10.00 O ATOM 313 CB TRP A 432 -2.969 -3.533 -5.160 1.00 10.00 C ATOM 314 CG TRP A 432 -1.548 -3.184 -5.517 1.00 10.00 C ATOM 315 CD1 TRP A 432 -0.945 -3.311 -6.734 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.553 -2.622 -4.642 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.338 -2.841 -6.676 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.606 -2.420 -5.409 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.531 -2.262 -3.293 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.768 -1.873 -4.879 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.627 -1.723 -2.764 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.762 -1.530 -3.558 1.00 10.00 C ATOM 0 H TRP A 432 -2.186 -4.931 -7.132 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.173 -5.541 -4.489 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.637 -2.886 -5.729 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.126 -3.305 -4.106 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.413 -3.723 -7.616 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.991 -2.811 -7.459 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.404 -2.402 -2.673 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.645 -1.724 -5.491 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.656 -1.446 -1.720 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.650 -1.102 -3.118 1.00 10.00 H new ATOM 333 N SER A 433 -5.538 -5.981 -5.073 1.00 10.00 N ATOM 334 CA SER A 433 -6.963 -6.191 -5.298 1.00 10.00 C ATOM 335 C SER A 433 -7.758 -4.932 -4.989 1.00 10.00 C ATOM 336 O SER A 433 -7.395 -4.162 -4.101 1.00 10.00 O ATOM 337 CB SER A 433 -7.469 -7.353 -4.442 1.00 10.00 C ATOM 338 OG SER A 433 -8.409 -8.140 -5.153 1.00 10.00 O ATOM 0 H SER A 433 -5.130 -6.591 -4.365 1.00 10.00 H new ATOM 0 HA SER A 433 -7.105 -6.435 -6.351 1.00 10.00 H new ATOM 0 HB2 SER A 433 -6.628 -7.975 -4.134 1.00 10.00 H new ATOM 0 HB3 SER A 433 -7.928 -6.966 -3.533 1.00 10.00 H new ATOM 0 HG SER A 433 -8.715 -8.877 -4.584 1.00 10.00 H new ATOM 344 N GLU A 434 -8.854 -4.731 -5.718 1.00 10.00 N ATOM 345 CA GLU A 434 -9.707 -3.567 -5.505 1.00 10.00 C ATOM 346 C GLU A 434 -10.021 -3.410 -4.021 1.00 10.00 C ATOM 347 O GLU A 434 -10.230 -2.301 -3.529 1.00 10.00 O ATOM 348 CB GLU A 434 -11.005 -3.701 -6.304 1.00 10.00 C ATOM 349 CG GLU A 434 -11.593 -2.368 -6.736 1.00 10.00 C ATOM 350 CD GLU A 434 -11.298 -2.042 -8.186 1.00 10.00 C ATOM 351 OE1 GLU A 434 -12.036 -2.533 -9.068 1.00 10.00 O ATOM 352 OE2 GLU A 434 -10.329 -1.297 -8.443 1.00 10.00 O ATOM 0 H GLU A 434 -9.170 -5.357 -6.458 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.175 -2.680 -5.850 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -10.816 -4.309 -7.189 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -11.740 -4.235 -5.701 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -12.672 -2.385 -6.584 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -11.194 -1.577 -6.101 1.00 10.00 H new ATOM 359 N GLN A 435 -10.034 -4.535 -3.314 1.00 10.00 N ATOM 360 CA GLN A 435 -10.301 -4.540 -1.885 1.00 10.00 C ATOM 361 C GLN A 435 -9.016 -4.302 -1.108 1.00 10.00 C ATOM 362 O GLN A 435 -9.030 -3.676 -0.048 1.00 10.00 O ATOM 363 CB GLN A 435 -10.927 -5.870 -1.466 1.00 10.00 C ATOM 364 CG GLN A 435 -12.447 -5.844 -1.415 1.00 10.00 C ATOM 365 CD GLN A 435 -13.066 -5.247 -2.664 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.231 -3.928 -2.669 1.00 10.00 O flip ATOM 367 NE2 GLN A 435 -13.391 -5.960 -3.612 1.00 10.00 N flip ATOM 0 H GLN A 435 -9.862 -5.458 -3.712 1.00 10.00 H new ATOM 0 HA GLN A 435 -11.002 -3.736 -1.661 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -10.609 -6.646 -2.163 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -10.544 -6.147 -0.484 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -12.819 -6.860 -1.280 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -12.767 -5.269 -0.546 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -13.246 -6.969 -3.565 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -13.806 -5.543 -4.445 1.00 10.00 H new ATOM 376 N GLU A 436 -7.902 -4.789 -1.645 1.00 10.00 N ATOM 377 CA GLU A 436 -6.621 -4.608 -1.003 1.00 10.00 C ATOM 378 C GLU A 436 -6.200 -3.151 -1.119 1.00 10.00 C ATOM 379 O GLU A 436 -5.719 -2.557 -0.154 1.00 10.00 O ATOM 380 CB GLU A 436 -5.602 -5.559 -1.621 1.00 10.00 C ATOM 381 CG GLU A 436 -4.938 -6.467 -0.597 1.00 10.00 C ATOM 382 CD GLU A 436 -5.063 -7.937 -0.950 1.00 10.00 C ATOM 383 OE1 GLU A 436 -5.081 -8.258 -2.156 1.00 10.00 O ATOM 384 OE2 GLU A 436 -5.144 -8.766 -0.020 1.00 10.00 O ATOM 0 H GLU A 436 -7.868 -5.310 -2.521 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.688 -4.847 0.058 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -6.096 -6.172 -2.375 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.836 -4.978 -2.134 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -3.883 -6.206 -0.516 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -5.386 -6.293 0.381 1.00 10.00 H new ATOM 391 N LYS A 437 -6.442 -2.562 -2.288 1.00 10.00 N ATOM 392 CA LYS A 437 -6.145 -1.149 -2.509 1.00 10.00 C ATOM 393 C LYS A 437 -6.854 -0.308 -1.457 1.00 10.00 C ATOM 394 O LYS A 437 -6.507 0.844 -1.230 1.00 10.00 O ATOM 395 CB LYS A 437 -6.596 -0.727 -3.911 1.00 10.00 C ATOM 396 CG LYS A 437 -5.474 -0.167 -4.768 1.00 10.00 C ATOM 397 CD LYS A 437 -5.879 -0.082 -6.230 1.00 10.00 C ATOM 398 CE LYS A 437 -5.460 -1.324 -6.998 1.00 10.00 C ATOM 399 NZ LYS A 437 -5.795 -1.223 -8.445 1.00 10.00 N ATOM 0 H LYS A 437 -6.842 -3.040 -3.095 1.00 10.00 H new ATOM 0 HA LYS A 437 -5.069 -0.993 -2.428 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -7.034 -1.587 -4.417 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -7.382 0.023 -3.820 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -5.199 0.824 -4.407 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -4.591 -0.798 -4.670 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -6.959 0.044 -6.302 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -5.424 0.798 -6.684 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -4.387 -1.476 -6.884 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -5.953 -2.198 -6.572 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -5.493 -2.090 -8.933 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -6.822 -1.103 -8.556 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -5.305 -0.404 -8.859 1.00 10.00 H new ATOM 413 N GLU A 438 -7.848 -0.906 -0.812 1.00 10.00 N ATOM 414 CA GLU A 438 -8.613 -0.221 0.219 1.00 10.00 C ATOM 415 C GLU A 438 -7.741 0.142 1.414 1.00 10.00 C ATOM 416 O GLU A 438 -8.000 1.127 2.102 1.00 10.00 O ATOM 417 CB GLU A 438 -9.773 -1.101 0.680 1.00 10.00 C ATOM 418 CG GLU A 438 -10.963 -0.316 1.207 1.00 10.00 C ATOM 419 CD GLU A 438 -11.880 0.166 0.100 1.00 10.00 C ATOM 420 OE1 GLU A 438 -11.385 0.832 -0.833 1.00 10.00 O ATOM 421 OE2 GLU A 438 -13.093 -0.125 0.164 1.00 10.00 O ATOM 0 H GLU A 438 -8.143 -1.867 -0.986 1.00 10.00 H new ATOM 0 HA GLU A 438 -9.000 0.702 -0.212 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -10.099 -1.723 -0.154 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.419 -1.775 1.460 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -11.530 -0.942 1.897 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -10.605 0.542 1.776 1.00 10.00 H new ATOM 428 N THR A 439 -6.716 -0.663 1.668 1.00 10.00 N ATOM 429 CA THR A 439 -5.827 -0.414 2.796 1.00 10.00 C ATOM 430 C THR A 439 -4.736 0.586 2.430 1.00 10.00 C ATOM 431 O THR A 439 -4.553 1.596 3.110 1.00 10.00 O ATOM 432 CB THR A 439 -5.210 -1.732 3.277 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.212 -2.578 3.812 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.140 -1.557 4.342 1.00 10.00 C ATOM 0 H THR A 439 -6.481 -1.486 1.114 1.00 10.00 H new ATOM 0 HA THR A 439 -6.415 0.019 3.605 1.00 10.00 H new ATOM 0 HB THR A 439 -4.742 -2.168 2.395 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.456 -3.257 3.148 1.00 10.00 H new ATOM 0 HG21 THR A 439 -3.751 -2.533 4.631 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.329 -0.946 3.946 1.00 10.00 H new ATOM 0 HG23 THR A 439 -4.571 -1.065 5.214 1.00 10.00 H new ATOM 442 N PHE A 440 -4.014 0.299 1.358 1.00 10.00 N ATOM 443 CA PHE A 440 -2.940 1.176 0.909 1.00 10.00 C ATOM 444 C PHE A 440 -3.505 2.495 0.401 1.00 10.00 C ATOM 445 O PHE A 440 -2.916 3.553 0.613 1.00 10.00 O ATOM 446 CB PHE A 440 -2.114 0.505 -0.192 1.00 10.00 C ATOM 447 CG PHE A 440 -2.513 -0.901 -0.466 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.273 -1.912 0.446 1.00 10.00 C ATOM 449 CD2 PHE A 440 -3.154 -1.197 -1.639 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.672 -3.199 0.173 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.557 -2.473 -1.916 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.315 -3.472 -1.015 1.00 10.00 C ATOM 0 H PHE A 440 -4.150 -0.532 0.783 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.290 1.374 1.761 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -2.208 1.086 -1.110 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -1.062 0.526 0.092 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -1.770 -1.690 1.376 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -3.344 -0.411 -2.355 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.483 -3.990 0.884 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -4.065 -2.691 -2.844 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.630 -4.481 -1.235 1.00 10.00 H new ATOM 462 N ARG A 441 -4.652 2.434 -0.270 1.00 10.00 N ATOM 463 CA ARG A 441 -5.272 3.640 -0.792 1.00 10.00 C ATOM 464 C ARG A 441 -5.866 4.469 0.343 1.00 10.00 C ATOM 465 O ARG A 441 -5.973 5.691 0.239 1.00 10.00 O ATOM 466 CB ARG A 441 -6.359 3.310 -1.817 1.00 10.00 C ATOM 467 CG ARG A 441 -6.801 4.511 -2.639 1.00 10.00 C ATOM 468 CD ARG A 441 -8.128 4.250 -3.334 1.00 10.00 C ATOM 469 NE ARG A 441 -7.978 3.371 -4.491 1.00 10.00 N ATOM 470 CZ ARG A 441 -8.989 2.734 -5.075 1.00 10.00 C ATOM 471 NH1 ARG A 441 -10.227 2.876 -4.614 1.00 10.00 N ATOM 472 NH2 ARG A 441 -8.765 1.953 -6.123 1.00 10.00 N ATOM 0 H ARG A 441 -5.163 1.572 -0.462 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.496 4.219 -1.292 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.990 2.535 -2.489 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.224 2.897 -1.298 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -6.893 5.383 -1.991 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -6.039 4.745 -3.382 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -8.825 3.802 -2.626 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -8.562 5.197 -3.653 1.00 10.00 H new ATOM 0 HE ARG A 441 -7.042 3.238 -4.874 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -10.406 3.476 -3.809 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -10.999 2.385 -5.066 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -7.817 1.840 -6.482 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -9.541 1.465 -6.570 1.00 10.00 H new ATOM 486 N GLU A 442 -6.249 3.797 1.429 1.00 10.00 N ATOM 487 CA GLU A 442 -6.830 4.480 2.579 1.00 10.00 C ATOM 488 C GLU A 442 -5.765 5.256 3.343 1.00 10.00 C ATOM 489 O GLU A 442 -6.016 6.363 3.817 1.00 10.00 O ATOM 490 CB GLU A 442 -7.521 3.477 3.508 1.00 10.00 C ATOM 491 CG GLU A 442 -8.009 4.086 4.814 1.00 10.00 C ATOM 492 CD GLU A 442 -8.888 5.302 4.599 1.00 10.00 C ATOM 493 OE1 GLU A 442 -10.095 5.122 4.333 1.00 10.00 O ATOM 494 OE2 GLU A 442 -8.369 6.434 4.695 1.00 10.00 O ATOM 0 H GLU A 442 -6.167 2.786 1.534 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.574 5.186 2.211 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -8.369 3.035 2.984 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -6.828 2.666 3.732 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -8.565 3.335 5.375 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -7.150 4.367 5.423 1.00 10.00 H new ATOM 501 N LYS A 443 -4.575 4.677 3.454 1.00 10.00 N ATOM 502 CA LYS A 443 -3.481 5.331 4.157 1.00 10.00 C ATOM 503 C LYS A 443 -2.947 6.489 3.328 1.00 10.00 C ATOM 504 O LYS A 443 -2.716 7.582 3.842 1.00 10.00 O ATOM 505 CB LYS A 443 -2.366 4.330 4.456 1.00 10.00 C ATOM 506 CG LYS A 443 -2.295 3.924 5.919 1.00 10.00 C ATOM 507 CD LYS A 443 -3.183 2.725 6.209 1.00 10.00 C ATOM 508 CE LYS A 443 -3.898 2.869 7.543 1.00 10.00 C ATOM 509 NZ LYS A 443 -3.136 2.232 8.652 1.00 10.00 N ATOM 0 H LYS A 443 -4.345 3.761 3.068 1.00 10.00 H new ATOM 0 HA LYS A 443 -3.855 5.721 5.103 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -2.515 3.439 3.846 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -1.410 4.763 4.160 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -1.264 3.687 6.182 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -2.599 4.763 6.545 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -3.918 2.614 5.412 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -2.580 1.817 6.215 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -4.045 3.926 7.764 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -4.887 2.417 7.475 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -3.656 2.352 9.544 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -3.017 1.218 8.454 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -2.201 2.681 8.733 1.00 10.00 H new ATOM 523 N PHE A 444 -2.786 6.254 2.034 1.00 10.00 N ATOM 524 CA PHE A 444 -2.316 7.289 1.136 1.00 10.00 C ATOM 525 C PHE A 444 -3.384 8.363 1.015 1.00 10.00 C ATOM 526 O PHE A 444 -3.085 9.533 0.779 1.00 10.00 O ATOM 527 CB PHE A 444 -1.977 6.697 -0.231 1.00 10.00 C ATOM 528 CG PHE A 444 -1.404 7.695 -1.193 1.00 10.00 C ATOM 529 CD1 PHE A 444 -2.208 8.660 -1.776 1.00 10.00 C ATOM 530 CD2 PHE A 444 -0.058 7.665 -1.513 1.00 10.00 C ATOM 531 CE1 PHE A 444 -1.679 9.578 -2.664 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.478 8.581 -2.398 1.00 10.00 C ATOM 533 CZ PHE A 444 -0.334 9.538 -2.975 1.00 10.00 C ATOM 0 H PHE A 444 -2.974 5.357 1.587 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.406 7.735 1.537 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.265 5.883 -0.098 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -2.879 6.264 -0.664 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -3.260 8.696 -1.534 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.581 6.917 -1.066 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -2.316 10.325 -3.114 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.530 8.549 -2.638 1.00 10.00 H new ATOM 0 HZ PHE A 444 0.082 10.254 -3.668 1.00 10.00 H new ATOM 543 N MET A 445 -4.636 7.954 1.219 1.00 10.00 N ATOM 544 CA MET A 445 -5.753 8.877 1.174 1.00 10.00 C ATOM 545 C MET A 445 -5.819 9.633 2.494 1.00 10.00 C ATOM 546 O MET A 445 -6.067 10.838 2.528 1.00 10.00 O ATOM 547 CB MET A 445 -7.064 8.131 0.918 1.00 10.00 C ATOM 548 CG MET A 445 -8.289 9.031 0.927 1.00 10.00 C ATOM 549 SD MET A 445 -9.593 8.438 -0.168 1.00 10.00 S ATOM 550 CE MET A 445 -10.979 8.367 0.964 1.00 10.00 C ATOM 0 H MET A 445 -4.895 6.987 1.417 1.00 10.00 H new ATOM 0 HA MET A 445 -5.608 9.581 0.355 1.00 10.00 H new ATOM 0 HB2 MET A 445 -7.002 7.625 -0.046 1.00 10.00 H new ATOM 0 HB3 MET A 445 -7.186 7.358 1.676 1.00 10.00 H new ATOM 0 HG2 MET A 445 -8.677 9.101 1.943 1.00 10.00 H new ATOM 0 HG3 MET A 445 -7.998 10.038 0.627 1.00 10.00 H new ATOM 0 HE1 MET A 445 -11.864 8.016 0.434 1.00 10.00 H new ATOM 0 HE2 MET A 445 -10.748 7.681 1.779 1.00 10.00 H new ATOM 0 HE3 MET A 445 -11.169 9.361 1.369 1.00 10.00 H new ATOM 560 N GLN A 446 -5.560 8.908 3.581 1.00 10.00 N ATOM 561 CA GLN A 446 -5.548 9.492 4.914 1.00 10.00 C ATOM 562 C GLN A 446 -4.360 10.433 5.038 1.00 10.00 C ATOM 563 O GLN A 446 -4.438 11.486 5.672 1.00 10.00 O ATOM 564 CB GLN A 446 -5.446 8.393 5.974 1.00 10.00 C ATOM 565 CG GLN A 446 -5.999 8.797 7.331 1.00 10.00 C ATOM 566 CD GLN A 446 -6.760 7.672 8.005 1.00 10.00 C ATOM 567 OE1 GLN A 446 -6.520 7.354 9.170 1.00 10.00 O ATOM 568 NE2 GLN A 446 -7.686 7.061 7.273 1.00 10.00 N ATOM 0 H GLN A 446 -5.355 7.909 3.560 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.475 10.044 5.070 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -5.981 7.511 5.622 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.400 8.107 6.088 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -5.178 9.113 7.975 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.659 9.656 7.210 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -7.853 7.357 6.311 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -8.230 6.297 7.673 1.00 10.00 H new ATOM 577 N HIS A 447 -3.262 10.032 4.410 1.00 10.00 N ATOM 578 CA HIS A 447 -2.036 10.811 4.411 1.00 10.00 C ATOM 579 C HIS A 447 -1.847 11.482 3.050 1.00 10.00 C ATOM 580 O HIS A 447 -1.090 10.997 2.209 1.00 10.00 O ATOM 581 CB HIS A 447 -0.848 9.898 4.731 1.00 10.00 C ATOM 582 CG HIS A 447 -0.991 9.167 6.033 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.406 7.902 6.312 1.00 10.00 N flip ATOM 584 CD2 HIS A 447 -0.697 9.744 7.251 1.00 10.00 C flip ATOM 585 CE1 HIS A 447 -1.354 7.749 7.673 1.00 10.00 C flip ATOM 586 NE2 HIS A 447 -0.922 8.871 8.216 1.00 10.00 N flip ATOM 0 H HIS A 447 -3.199 9.159 3.887 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.098 11.587 5.174 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.730 9.172 3.926 1.00 10.00 H new ATOM 0 HB3 HIS A 447 0.063 10.496 4.757 1.00 10.00 H new ATOM 0 HD1 HIS A 447 -1.701 7.199 5.635 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -0.339 10.753 7.393 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -1.623 6.854 8.214 1.00 10.00 H new ATOM 595 N PRO A 448 -2.555 12.605 2.811 1.00 10.00 N ATOM 596 CA PRO A 448 -2.496 13.347 1.551 1.00 10.00 C ATOM 597 C PRO A 448 -1.094 13.405 0.951 1.00 10.00 C ATOM 598 O PRO A 448 -0.214 14.094 1.467 1.00 10.00 O ATOM 599 CB PRO A 448 -2.976 14.758 1.934 1.00 10.00 C ATOM 600 CG PRO A 448 -3.366 14.696 3.382 1.00 10.00 C ATOM 601 CD PRO A 448 -3.487 13.243 3.743 1.00 10.00 C ATOM 0 HA PRO A 448 -3.103 12.867 0.783 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -2.187 15.493 1.776 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -3.822 15.061 1.317 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -2.618 15.187 4.004 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -4.310 15.215 3.550 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -3.212 13.059 4.781 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -4.505 12.876 3.613 1.00 10.00 H new ATOM 609 N LYS A 449 -0.902 12.677 -0.149 1.00 10.00 N ATOM 610 CA LYS A 449 0.386 12.638 -0.840 1.00 10.00 C ATOM 611 C LYS A 449 1.538 12.500 0.149 1.00 10.00 C ATOM 612 O LYS A 449 2.151 13.493 0.543 1.00 10.00 O ATOM 613 CB LYS A 449 0.572 13.900 -1.684 1.00 10.00 C ATOM 614 CG LYS A 449 1.430 13.684 -2.920 1.00 10.00 C ATOM 615 CD LYS A 449 1.388 14.890 -3.844 1.00 10.00 C ATOM 616 CE LYS A 449 1.441 14.474 -5.305 1.00 10.00 C ATOM 617 NZ LYS A 449 0.147 13.899 -5.766 1.00 10.00 N ATOM 0 H LYS A 449 -1.626 12.104 -0.582 1.00 10.00 H new ATOM 0 HA LYS A 449 0.390 11.765 -1.493 1.00 10.00 H new ATOM 0 HB2 LYS A 449 -0.407 14.269 -1.991 1.00 10.00 H new ATOM 0 HB3 LYS A 449 1.026 14.676 -1.068 1.00 10.00 H new ATOM 0 HG2 LYS A 449 2.460 13.490 -2.620 1.00 10.00 H new ATOM 0 HG3 LYS A 449 1.082 12.801 -3.456 1.00 10.00 H new ATOM 0 HD2 LYS A 449 0.477 15.460 -3.660 1.00 10.00 H new ATOM 0 HD3 LYS A 449 2.227 15.550 -3.622 1.00 10.00 H new ATOM 0 HE2 LYS A 449 1.694 15.338 -5.920 1.00 10.00 H new ATOM 0 HE3 LYS A 449 2.235 13.740 -5.445 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 0.153 13.817 -6.803 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 0.016 12.957 -5.345 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 -0.633 14.521 -5.473 1.00 10.00 H new ATOM 631 N ASN A 450 1.827 11.267 0.550 1.00 10.00 N ATOM 632 CA ASN A 450 2.905 11.016 1.496 1.00 10.00 C ATOM 633 C ASN A 450 3.863 9.951 0.981 1.00 10.00 C ATOM 634 O ASN A 450 5.078 10.149 0.977 1.00 10.00 O ATOM 635 CB ASN A 450 2.337 10.594 2.855 1.00 10.00 C ATOM 636 CG ASN A 450 1.419 9.392 2.756 1.00 10.00 C ATOM 637 OD1 ASN A 450 0.649 9.262 1.804 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.495 8.503 3.740 1.00 10.00 N ATOM 0 H ASN A 450 1.333 10.431 0.237 1.00 10.00 H new ATOM 0 HA ASN A 450 3.463 11.945 1.613 1.00 10.00 H new ATOM 0 HB2 ASN A 450 3.159 10.364 3.532 1.00 10.00 H new ATOM 0 HB3 ASN A 450 1.789 11.430 3.291 1.00 10.00 H new ATOM 0 HD21 ASN A 450 0.901 7.674 3.725 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.147 8.650 4.510 1.00 10.00 H new ATOM 645 N PHE A 451 3.315 8.813 0.563 1.00 10.00 N ATOM 646 CA PHE A 451 4.129 7.706 0.068 1.00 10.00 C ATOM 647 C PHE A 451 5.312 7.473 1.000 1.00 10.00 C ATOM 648 O PHE A 451 6.468 7.432 0.582 1.00 10.00 O ATOM 649 CB PHE A 451 4.598 7.969 -1.369 1.00 10.00 C ATOM 650 CG PHE A 451 4.090 6.955 -2.363 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.848 6.364 -2.192 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.847 6.598 -3.470 1.00 10.00 C ATOM 653 CE1 PHE A 451 2.371 5.441 -3.100 1.00 10.00 C ATOM 654 CE2 PHE A 451 4.373 5.676 -4.384 1.00 10.00 C ATOM 655 CZ PHE A 451 3.133 5.096 -4.199 1.00 10.00 C ATOM 0 H PHE A 451 2.311 8.633 0.557 1.00 10.00 H new ATOM 0 HA PHE A 451 3.519 6.803 0.052 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.268 8.962 -1.674 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.688 7.974 -1.392 1.00 10.00 H new ATOM 0 HD1 PHE A 451 2.245 6.630 -1.336 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.818 7.046 -3.619 1.00 10.00 H new ATOM 0 HE1 PHE A 451 1.402 4.988 -2.951 1.00 10.00 H new ATOM 0 HE2 PHE A 451 4.972 5.409 -5.242 1.00 10.00 H new ATOM 0 HZ PHE A 451 2.761 4.375 -4.912 1.00 10.00 H new ATOM 665 N GLY A 452 4.982 7.322 2.273 1.00 10.00 N ATOM 666 CA GLY A 452 5.972 7.088 3.304 1.00 10.00 C ATOM 667 C GLY A 452 5.391 6.222 4.394 1.00 10.00 C ATOM 668 O GLY A 452 5.954 5.183 4.743 1.00 10.00 O ATOM 0 H GLY A 452 4.022 7.359 2.617 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.849 6.605 2.874 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.304 8.038 3.722 1.00 10.00 H new ATOM 672 N LEU A 453 4.232 6.631 4.899 1.00 10.00 N ATOM 673 CA LEU A 453 3.535 5.865 5.918 1.00 10.00 C ATOM 674 C LEU A 453 2.784 4.733 5.243 1.00 10.00 C ATOM 675 O LEU A 453 2.726 3.613 5.750 1.00 10.00 O ATOM 676 CB LEU A 453 2.555 6.741 6.702 1.00 10.00 C ATOM 677 CG LEU A 453 1.583 5.967 7.599 1.00 10.00 C ATOM 678 CD1 LEU A 453 1.155 6.818 8.784 1.00 10.00 C ATOM 679 CD2 LEU A 453 0.372 5.496 6.799 1.00 10.00 C ATOM 0 H LEU A 453 3.758 7.489 4.617 1.00 10.00 H new ATOM 0 HA LEU A 453 4.266 5.471 6.625 1.00 10.00 H new ATOM 0 HB2 LEU A 453 3.124 7.436 7.320 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.979 7.340 5.996 1.00 10.00 H new ATOM 0 HG LEU A 453 2.097 5.086 7.984 1.00 10.00 H new ATOM 0 HD11 LEU A 453 0.465 6.251 9.409 1.00 10.00 H new ATOM 0 HD12 LEU A 453 2.032 7.094 9.370 1.00 10.00 H new ATOM 0 HD13 LEU A 453 0.661 7.720 8.424 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.306 4.949 7.454 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.146 6.359 6.380 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.701 4.843 5.991 1.00 10.00 H new ATOM 691 N ILE A 454 2.221 5.040 4.076 1.00 10.00 N ATOM 692 CA ILE A 454 1.486 4.059 3.306 1.00 10.00 C ATOM 693 C ILE A 454 2.390 2.886 2.955 1.00 10.00 C ATOM 694 O ILE A 454 1.977 1.730 3.010 1.00 10.00 O ATOM 695 CB ILE A 454 0.931 4.679 2.012 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.045 3.702 1.350 1.00 10.00 C ATOM 697 CG2 ILE A 454 2.074 5.056 1.074 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.027 3.736 -0.166 1.00 10.00 C ATOM 0 H ILE A 454 2.264 5.965 3.649 1.00 10.00 H new ATOM 0 HA ILE A 454 0.651 3.710 3.914 1.00 10.00 H new ATOM 0 HB ILE A 454 0.387 5.593 2.249 1.00 10.00 H new ATOM 0 HG12 ILE A 454 0.190 2.691 1.682 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -1.055 3.925 1.695 1.00 10.00 H new ATOM 0 HG21 ILE A 454 1.667 5.494 0.162 1.00 10.00 H new ATOM 0 HG22 ILE A 454 2.724 5.780 1.565 1.00 10.00 H new ATOM 0 HG23 ILE A 454 2.648 4.164 0.823 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -0.746 3.015 -0.555 1.00 10.00 H new ATOM 0 HD12 ILE A 454 -0.293 4.735 -0.511 1.00 10.00 H new ATOM 0 HD13 ILE A 454 0.971 3.482 -0.524 1.00 10.00 H new ATOM 710 N ALA A 455 3.632 3.206 2.602 1.00 10.00 N ATOM 711 CA ALA A 455 4.619 2.196 2.249 1.00 10.00 C ATOM 712 C ALA A 455 5.434 1.772 3.468 1.00 10.00 C ATOM 713 O ALA A 455 6.475 1.128 3.335 1.00 10.00 O ATOM 714 CB ALA A 455 5.540 2.722 1.159 1.00 10.00 C ATOM 0 H ALA A 455 3.978 4.164 2.553 1.00 10.00 H new ATOM 0 HA ALA A 455 4.088 1.320 1.876 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.274 1.958 0.903 1.00 10.00 H new ATOM 0 HB2 ALA A 455 4.953 2.971 0.275 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.054 3.614 1.516 1.00 10.00 H new ATOM 720 N SER A 456 4.961 2.143 4.657 1.00 10.00 N ATOM 721 CA SER A 456 5.655 1.803 5.892 1.00 10.00 C ATOM 722 C SER A 456 4.828 0.854 6.753 1.00 10.00 C ATOM 723 O SER A 456 5.380 0.084 7.538 1.00 10.00 O ATOM 724 CB SER A 456 5.983 3.072 6.682 1.00 10.00 C ATOM 725 OG SER A 456 7.297 3.522 6.403 1.00 10.00 O ATOM 0 H SER A 456 4.102 2.678 4.788 1.00 10.00 H new ATOM 0 HA SER A 456 6.582 1.296 5.623 1.00 10.00 H new ATOM 0 HB2 SER A 456 5.267 3.855 6.432 1.00 10.00 H new ATOM 0 HB3 SER A 456 5.882 2.876 7.749 1.00 10.00 H new ATOM 0 HG SER A 456 7.262 4.241 5.738 1.00 10.00 H new ATOM 731 N PHE A 457 3.504 0.903 6.606 1.00 10.00 N ATOM 732 CA PHE A 457 2.635 0.028 7.385 1.00 10.00 C ATOM 733 C PHE A 457 2.473 -1.325 6.693 1.00 10.00 C ATOM 734 O PHE A 457 2.162 -2.328 7.334 1.00 10.00 O ATOM 735 CB PHE A 457 1.271 0.687 7.630 1.00 10.00 C ATOM 736 CG PHE A 457 0.328 0.600 6.465 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.349 -0.581 6.192 1.00 10.00 C ATOM 738 CD2 PHE A 457 0.124 1.693 5.637 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.206 -0.670 5.120 1.00 10.00 C ATOM 740 CE2 PHE A 457 -0.735 1.609 4.564 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.400 0.430 4.302 1.00 10.00 C ATOM 0 H PHE A 457 3.018 1.530 5.965 1.00 10.00 H new ATOM 0 HA PHE A 457 3.103 -0.141 8.355 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.804 0.219 8.497 1.00 10.00 H new ATOM 0 HB3 PHE A 457 1.427 1.737 7.880 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.201 -1.440 6.829 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.644 2.619 5.835 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.726 -1.595 4.917 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -0.888 2.468 3.927 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.072 0.365 3.459 1.00 10.00 H new ATOM 751 N LEU A 458 2.701 -1.346 5.380 1.00 10.00 N ATOM 752 CA LEU A 458 2.596 -2.578 4.604 1.00 10.00 C ATOM 753 C LEU A 458 3.960 -2.968 4.038 1.00 10.00 C ATOM 754 O LEU A 458 4.075 -3.338 2.875 1.00 10.00 O ATOM 755 CB LEU A 458 1.568 -2.423 3.477 1.00 10.00 C ATOM 756 CG LEU A 458 1.497 -1.030 2.852 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.843 -0.658 2.261 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.407 -0.971 1.789 1.00 10.00 C ATOM 0 H LEU A 458 2.959 -0.524 4.834 1.00 10.00 H new ATOM 0 HA LEU A 458 2.256 -3.374 5.267 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.799 -3.145 2.693 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.583 -2.680 3.867 1.00 10.00 H new ATOM 0 HG LEU A 458 1.246 -0.310 3.631 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.784 0.336 1.818 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.599 -0.660 3.047 1.00 10.00 H new ATOM 0 HD13 LEU A 458 3.116 -1.382 1.493 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.374 0.029 1.357 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.623 -1.697 1.006 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.557 -1.203 2.243 1.00 10.00 H new ATOM 770 N GLU A 459 4.976 -2.871 4.900 1.00 10.00 N ATOM 771 CA GLU A 459 6.380 -3.193 4.579 1.00 10.00 C ATOM 772 C GLU A 459 6.582 -3.784 3.183 1.00 10.00 C ATOM 773 O GLU A 459 7.321 -3.227 2.371 1.00 10.00 O ATOM 774 CB GLU A 459 6.938 -4.160 5.624 1.00 10.00 C ATOM 775 CG GLU A 459 8.436 -4.024 5.839 1.00 10.00 C ATOM 776 CD GLU A 459 8.827 -4.130 7.300 1.00 10.00 C ATOM 777 OE1 GLU A 459 8.688 -5.231 7.873 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.271 -3.112 7.871 1.00 10.00 O ATOM 0 H GLU A 459 4.848 -2.560 5.863 1.00 10.00 H new ATOM 0 HA GLU A 459 6.918 -2.245 4.593 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.427 -3.992 6.572 1.00 10.00 H new ATOM 0 HB3 GLU A 459 6.715 -5.182 5.317 1.00 10.00 H new ATOM 0 HG2 GLU A 459 8.953 -4.798 5.271 1.00 10.00 H new ATOM 0 HG3 GLU A 459 8.770 -3.064 5.446 1.00 10.00 H new ATOM 785 N ARG A 460 5.934 -4.917 2.911 1.00 10.00 N ATOM 786 CA ARG A 460 6.054 -5.586 1.614 1.00 10.00 C ATOM 787 C ARG A 460 5.997 -4.584 0.466 1.00 10.00 C ATOM 788 O ARG A 460 6.581 -4.801 -0.595 1.00 10.00 O ATOM 789 CB ARG A 460 4.947 -6.630 1.449 1.00 10.00 C ATOM 790 CG ARG A 460 5.064 -7.798 2.412 1.00 10.00 C ATOM 791 CD ARG A 460 6.156 -8.766 1.986 1.00 10.00 C ATOM 792 NE ARG A 460 6.847 -9.352 3.132 1.00 10.00 N ATOM 793 CZ ARG A 460 6.276 -10.193 3.991 1.00 10.00 C ATOM 794 NH1 ARG A 460 5.006 -10.548 3.838 1.00 10.00 N ATOM 795 NH2 ARG A 460 6.976 -10.681 5.006 1.00 10.00 N ATOM 0 H ARG A 460 5.320 -5.392 3.572 1.00 10.00 H new ATOM 0 HA ARG A 460 7.024 -6.083 1.585 1.00 10.00 H new ATOM 0 HB2 ARG A 460 3.980 -6.148 1.592 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.966 -7.009 0.427 1.00 10.00 H new ATOM 0 HG2 ARG A 460 5.278 -7.425 3.414 1.00 10.00 H new ATOM 0 HG3 ARG A 460 4.111 -8.324 2.465 1.00 10.00 H new ATOM 0 HD2 ARG A 460 5.720 -9.561 1.381 1.00 10.00 H new ATOM 0 HD3 ARG A 460 6.877 -8.245 1.356 1.00 10.00 H new ATOM 0 HE ARG A 460 7.824 -9.102 3.283 1.00 10.00 H new ATOM 0 HH11 ARG A 460 4.463 -10.176 3.059 1.00 10.00 H new ATOM 0 HH12 ARG A 460 4.574 -11.193 4.499 1.00 10.00 H new ATOM 0 HH21 ARG A 460 7.952 -10.412 5.128 1.00 10.00 H new ATOM 0 HH22 ARG A 460 6.538 -11.326 5.664 1.00 10.00 H new ATOM 809 N LYS A 461 5.294 -3.480 0.694 1.00 10.00 N ATOM 810 CA LYS A 461 5.165 -2.435 -0.314 1.00 10.00 C ATOM 811 C LYS A 461 5.987 -1.214 0.078 1.00 10.00 C ATOM 812 O LYS A 461 5.685 -0.538 1.062 1.00 10.00 O ATOM 813 CB LYS A 461 3.698 -2.024 -0.511 1.00 10.00 C ATOM 814 CG LYS A 461 2.680 -3.030 0.013 1.00 10.00 C ATOM 815 CD LYS A 461 2.202 -3.954 -1.094 1.00 10.00 C ATOM 816 CE LYS A 461 2.873 -5.314 -1.017 1.00 10.00 C ATOM 817 NZ LYS A 461 2.255 -6.181 0.024 1.00 10.00 N ATOM 0 H LYS A 461 4.805 -3.286 1.568 1.00 10.00 H new ATOM 0 HA LYS A 461 5.540 -2.839 -1.255 1.00 10.00 H new ATOM 0 HB2 LYS A 461 3.533 -1.068 -0.014 1.00 10.00 H new ATOM 0 HB3 LYS A 461 3.519 -1.866 -1.574 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.126 -3.619 0.815 1.00 10.00 H new ATOM 0 HG3 LYS A 461 1.829 -2.501 0.442 1.00 10.00 H new ATOM 0 HD2 LYS A 461 1.121 -4.077 -1.025 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.410 -3.500 -2.063 1.00 10.00 H new ATOM 0 HE2 LYS A 461 2.806 -5.807 -1.987 1.00 10.00 H new ATOM 0 HE3 LYS A 461 3.933 -5.184 -0.798 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 2.842 -7.028 0.163 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 2.188 -5.655 0.919 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 1.303 -6.466 -0.282 1.00 10.00 H new ATOM 831 N THR A 462 7.025 -0.935 -0.699 1.00 10.00 N ATOM 832 CA THR A 462 7.890 0.209 -0.433 1.00 10.00 C ATOM 833 C THR A 462 7.327 1.470 -1.079 1.00 10.00 C ATOM 834 O THR A 462 6.369 1.407 -1.849 1.00 10.00 O ATOM 835 CB THR A 462 9.306 -0.060 -0.950 1.00 10.00 C ATOM 836 OG1 THR A 462 9.306 -1.123 -1.887 1.00 10.00 O ATOM 837 CG2 THR A 462 10.286 -0.414 0.148 1.00 10.00 C ATOM 0 H THR A 462 7.289 -1.483 -1.517 1.00 10.00 H new ATOM 0 HA THR A 462 7.933 0.361 0.646 1.00 10.00 H new ATOM 0 HB THR A 462 9.626 0.873 -1.414 1.00 10.00 H new ATOM 0 HG1 THR A 462 10.220 -1.278 -2.206 1.00 10.00 H new ATOM 0 HG21 THR A 462 11.270 -0.592 -0.286 1.00 10.00 H new ATOM 0 HG22 THR A 462 10.347 0.409 0.860 1.00 10.00 H new ATOM 0 HG23 THR A 462 9.948 -1.314 0.662 1.00 10.00 H new ATOM 845 N VAL A 463 7.926 2.613 -0.765 1.00 10.00 N ATOM 846 CA VAL A 463 7.479 3.883 -1.322 1.00 10.00 C ATOM 847 C VAL A 463 7.620 3.885 -2.841 1.00 10.00 C ATOM 848 O VAL A 463 6.649 4.106 -3.565 1.00 10.00 O ATOM 849 CB VAL A 463 8.271 5.067 -0.727 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.922 6.368 -1.437 1.00 10.00 C ATOM 851 CG2 VAL A 463 8.009 5.183 0.768 1.00 10.00 C ATOM 0 H VAL A 463 8.720 2.686 -0.129 1.00 10.00 H new ATOM 0 HA VAL A 463 6.428 4.002 -1.059 1.00 10.00 H new ATOM 0 HB VAL A 463 9.334 4.877 -0.879 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.493 7.186 -0.999 1.00 10.00 H new ATOM 0 HG12 VAL A 463 8.166 6.281 -2.496 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.857 6.569 -1.325 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.575 6.022 1.172 1.00 10.00 H new ATOM 0 HG22 VAL A 463 6.945 5.346 0.939 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.320 4.264 1.264 1.00 10.00 H new ATOM 861 N ALA A 464 8.834 3.631 -3.318 1.00 10.00 N ATOM 862 CA ALA A 464 9.098 3.599 -4.751 1.00 10.00 C ATOM 863 C ALA A 464 8.428 2.393 -5.404 1.00 10.00 C ATOM 864 O ALA A 464 8.147 2.401 -6.602 1.00 10.00 O ATOM 865 CB ALA A 464 10.597 3.576 -5.010 1.00 10.00 C ATOM 0 H ALA A 464 9.649 3.445 -2.734 1.00 10.00 H new ATOM 0 HA ALA A 464 8.677 4.501 -5.195 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.780 3.552 -6.084 1.00 10.00 H new ATOM 0 HB2 ALA A 464 11.054 4.469 -4.584 1.00 10.00 H new ATOM 0 HB3 ALA A 464 11.033 2.690 -4.548 1.00 10.00 H new ATOM 871 N GLU A 465 8.176 1.358 -4.607 1.00 10.00 N ATOM 872 CA GLU A 465 7.538 0.145 -5.107 1.00 10.00 C ATOM 873 C GLU A 465 6.017 0.225 -4.987 1.00 10.00 C ATOM 874 O GLU A 465 5.300 -0.595 -5.560 1.00 10.00 O ATOM 875 CB GLU A 465 8.056 -1.076 -4.348 1.00 10.00 C ATOM 876 CG GLU A 465 7.727 -2.397 -5.025 1.00 10.00 C ATOM 877 CD GLU A 465 8.220 -3.595 -4.235 1.00 10.00 C ATOM 878 OE1 GLU A 465 9.428 -3.900 -4.313 1.00 10.00 O ATOM 879 OE2 GLU A 465 7.397 -4.227 -3.539 1.00 10.00 O ATOM 0 H GLU A 465 8.404 1.336 -3.613 1.00 10.00 H new ATOM 0 HA GLU A 465 7.790 0.047 -6.163 1.00 10.00 H new ATOM 0 HB2 GLU A 465 9.137 -0.993 -4.237 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.632 -1.076 -3.344 1.00 10.00 H new ATOM 0 HG2 GLU A 465 6.648 -2.474 -5.159 1.00 10.00 H new ATOM 0 HG3 GLU A 465 8.174 -2.413 -6.019 1.00 10.00 H new ATOM 886 N CYS A 466 5.525 1.216 -4.244 1.00 10.00 N ATOM 887 CA CYS A 466 4.090 1.390 -4.065 1.00 10.00 C ATOM 888 C CYS A 466 3.469 2.021 -5.303 1.00 10.00 C ATOM 889 O CYS A 466 2.273 1.870 -5.555 1.00 10.00 O ATOM 890 CB CYS A 466 3.803 2.249 -2.832 1.00 10.00 C ATOM 891 SG CYS A 466 3.360 1.297 -1.359 1.00 10.00 S ATOM 0 H CYS A 466 6.099 1.906 -3.760 1.00 10.00 H new ATOM 0 HA CYS A 466 3.643 0.407 -3.915 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.682 2.854 -2.610 1.00 10.00 H new ATOM 0 HB3 CYS A 466 2.992 2.939 -3.064 1.00 10.00 H new ATOM 0 HG CYS A 466 4.442 0.894 -0.761 1.00 10.00 H new ATOM 897 N VAL A 467 4.292 2.712 -6.090 1.00 10.00 N ATOM 898 CA VAL A 467 3.821 3.343 -7.314 1.00 10.00 C ATOM 899 C VAL A 467 3.176 2.308 -8.234 1.00 10.00 C ATOM 900 O VAL A 467 2.420 2.651 -9.141 1.00 10.00 O ATOM 901 CB VAL A 467 4.972 4.039 -8.069 1.00 10.00 C ATOM 902 CG1 VAL A 467 6.071 3.042 -8.405 1.00 10.00 C ATOM 903 CG2 VAL A 467 4.456 4.717 -9.330 1.00 10.00 C ATOM 0 H VAL A 467 5.285 2.847 -5.900 1.00 10.00 H new ATOM 0 HA VAL A 467 3.084 4.094 -7.029 1.00 10.00 H new ATOM 0 HB VAL A 467 5.393 4.806 -7.419 1.00 10.00 H new ATOM 0 HG11 VAL A 467 6.874 3.552 -8.937 1.00 10.00 H new ATOM 0 HG12 VAL A 467 6.463 2.609 -7.485 1.00 10.00 H new ATOM 0 HG13 VAL A 467 5.664 2.250 -9.034 1.00 10.00 H new ATOM 0 HG21 VAL A 467 5.284 5.202 -9.847 1.00 10.00 H new ATOM 0 HG22 VAL A 467 4.005 3.972 -9.985 1.00 10.00 H new ATOM 0 HG23 VAL A 467 3.709 5.464 -9.062 1.00 10.00 H new ATOM 913 N LEU A 468 3.485 1.036 -7.994 1.00 10.00 N ATOM 914 CA LEU A 468 2.941 -0.048 -8.796 1.00 10.00 C ATOM 915 C LEU A 468 1.446 -0.249 -8.540 1.00 10.00 C ATOM 916 O LEU A 468 0.819 -1.105 -9.159 1.00 10.00 O ATOM 917 CB LEU A 468 3.705 -1.344 -8.511 1.00 10.00 C ATOM 918 CG LEU A 468 4.365 -1.988 -9.730 1.00 10.00 C ATOM 919 CD1 LEU A 468 5.437 -1.074 -10.303 1.00 10.00 C ATOM 920 CD2 LEU A 468 4.957 -3.341 -9.362 1.00 10.00 C ATOM 0 H LEU A 468 4.111 0.734 -7.248 1.00 10.00 H new ATOM 0 HA LEU A 468 3.062 0.221 -9.845 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.474 -1.138 -7.767 1.00 10.00 H new ATOM 0 HB3 LEU A 468 3.017 -2.063 -8.067 1.00 10.00 H new ATOM 0 HG LEU A 468 3.602 -2.142 -10.493 1.00 10.00 H new ATOM 0 HD11 LEU A 468 5.895 -1.550 -11.170 1.00 10.00 H new ATOM 0 HD12 LEU A 468 4.986 -0.128 -10.604 1.00 10.00 H new ATOM 0 HD13 LEU A 468 6.199 -0.888 -9.546 1.00 10.00 H new ATOM 0 HD21 LEU A 468 5.423 -3.786 -10.241 1.00 10.00 H new ATOM 0 HD22 LEU A 468 5.706 -3.210 -8.581 1.00 10.00 H new ATOM 0 HD23 LEU A 468 4.166 -3.998 -8.999 1.00 10.00 H new ATOM 932 N TYR A 469 0.881 0.539 -7.630 1.00 10.00 N ATOM 933 CA TYR A 469 -0.538 0.443 -7.312 1.00 10.00 C ATOM 934 C TYR A 469 -1.273 1.733 -7.685 1.00 10.00 C ATOM 935 O TYR A 469 -2.498 1.745 -7.793 1.00 10.00 O ATOM 936 CB TYR A 469 -0.727 0.107 -5.818 1.00 10.00 C ATOM 937 CG TYR A 469 -1.447 1.150 -4.985 1.00 10.00 C ATOM 938 CD1 TYR A 469 -1.079 2.485 -5.039 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.499 0.794 -4.144 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.731 3.438 -4.290 1.00 10.00 C ATOM 941 CE2 TYR A 469 -3.155 1.743 -3.389 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.768 3.065 -3.469 1.00 10.00 C ATOM 943 OH TYR A 469 -3.417 4.018 -2.729 1.00 10.00 O ATOM 0 H TYR A 469 1.385 1.251 -7.101 1.00 10.00 H new ATOM 0 HA TYR A 469 -0.971 -0.364 -7.903 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.278 -0.831 -5.744 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.255 -0.065 -5.378 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.264 2.784 -5.682 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.805 -0.240 -4.083 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -1.429 4.473 -4.347 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.967 1.453 -2.739 1.00 10.00 H new ATOM 0 HH TYR A 469 -3.811 4.686 -3.329 1.00 10.00 H new ATOM 953 N TYR A 470 -0.521 2.823 -7.854 1.00 10.00 N ATOM 954 CA TYR A 470 -1.113 4.114 -8.182 1.00 10.00 C ATOM 955 C TYR A 470 -1.366 4.258 -9.679 1.00 10.00 C ATOM 956 O TYR A 470 -2.294 4.956 -10.088 1.00 10.00 O ATOM 957 CB TYR A 470 -0.223 5.253 -7.653 1.00 10.00 C ATOM 958 CG TYR A 470 0.440 6.099 -8.722 1.00 10.00 C ATOM 959 CD1 TYR A 470 1.308 5.530 -9.643 1.00 10.00 C ATOM 960 CD2 TYR A 470 0.199 7.464 -8.805 1.00 10.00 C ATOM 961 CE1 TYR A 470 1.918 6.294 -10.617 1.00 10.00 C ATOM 962 CE2 TYR A 470 0.805 8.237 -9.778 1.00 10.00 C ATOM 963 CZ TYR A 470 1.664 7.647 -10.681 1.00 10.00 C ATOM 964 OH TYR A 470 2.269 8.412 -11.651 1.00 10.00 O ATOM 0 H TYR A 470 0.495 2.834 -7.769 1.00 10.00 H new ATOM 0 HA TYR A 470 -2.085 4.175 -7.692 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -0.828 5.903 -7.021 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.552 4.823 -7.019 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.510 4.470 -9.597 1.00 10.00 H new ATOM 0 HD2 TYR A 470 -0.472 7.929 -8.098 1.00 10.00 H new ATOM 0 HE1 TYR A 470 2.591 5.834 -11.325 1.00 10.00 H new ATOM 0 HE2 TYR A 470 0.607 9.297 -9.831 1.00 10.00 H new ATOM 0 HH TYR A 470 1.983 9.345 -11.558 1.00 10.00 H new ATOM 974 N TYR A 471 -0.551 3.598 -10.500 1.00 10.00 N ATOM 975 CA TYR A 471 -0.732 3.682 -11.945 1.00 10.00 C ATOM 976 C TYR A 471 -1.874 2.774 -12.406 1.00 10.00 C ATOM 977 O TYR A 471 -2.221 2.749 -13.586 1.00 10.00 O ATOM 978 CB TYR A 471 0.576 3.358 -12.683 1.00 10.00 C ATOM 979 CG TYR A 471 0.874 1.882 -12.835 1.00 10.00 C ATOM 980 CD1 TYR A 471 0.198 1.110 -13.772 1.00 10.00 C ATOM 981 CD2 TYR A 471 1.836 1.263 -12.046 1.00 10.00 C ATOM 982 CE1 TYR A 471 0.472 -0.237 -13.918 1.00 10.00 C ATOM 983 CE2 TYR A 471 2.116 -0.084 -12.188 1.00 10.00 C ATOM 984 CZ TYR A 471 1.430 -0.829 -13.124 1.00 10.00 C ATOM 985 OH TYR A 471 1.705 -2.169 -13.268 1.00 10.00 O ATOM 0 H TYR A 471 0.226 3.011 -10.196 1.00 10.00 H new ATOM 0 HA TYR A 471 -1.005 4.708 -12.194 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.538 3.810 -13.674 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.403 3.828 -12.150 1.00 10.00 H new ATOM 0 HD1 TYR A 471 -0.554 1.570 -14.396 1.00 10.00 H new ATOM 0 HD2 TYR A 471 2.373 1.843 -11.310 1.00 10.00 H new ATOM 0 HE1 TYR A 471 -0.062 -0.823 -14.651 1.00 10.00 H new ATOM 0 HE2 TYR A 471 2.868 -0.550 -11.569 1.00 10.00 H new ATOM 0 HH TYR A 471 2.406 -2.429 -12.634 1.00 10.00 H new